Another thing I just noticed is that the chamber subdirectory does not
appear to be present under $AMBERHOME/test, which causes the pmemd serial
and parallel tests to stop.
On Mon, Mar 29, 2010 at 2:39 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Here are my current test results:
>
> Linux case1 2.6.18-164.11.1.el5 #1 SMP Wed Jan 20 07:32:21 EST 2010 x86_64
> x86_64 x86_64 GNU/Linux
> icc (ICC) 10.1 20090817
> ifort (IFORT) 10.1 20090817
> mpich2-1.2.1-intel
> No MKL
> ./configure intel [Serial] ./configure -mpi intel [Parallel]
>
> test_at_serial
> 281 file comparisons passed
> 2 file comparisons failed
> 0 tests experienced errors
>
> The two failures are rounding errors.
>
> test_amber_serial
> 398 file comparisons passed
> 0 file comparisons failed
> 0 tests experienced errors
>
> test_at_parallel (2 proc)
> 27 file comparisons passed
> 0 file comparisons failed
> 2 tests experienced errors
>
> The two errors are due to the Run.rism_* test cases. They look for
> ../numprocs.awk which is not present, and it seems they shouldn't try to run
> if -rismmpi was not specified in the configure script.
>
> test_amber_parallel (2 proc)
> 346 file comparisons passed
> 3 file comparisons failed
> 7 tests experienced errors
>
> All of the errors have to do with evb test cases, specifically:
> cd evb/malon_dbonds_umb_dg_UFF_3DG_qi_full_2D-PMF && ./Run.evb
> cd evb/malon_dbonds_umb_dg_UFF_3DG_qi_full_corrF && ./Run.evb
> cd evb/poh_dbonds_umb_dg_UFF_9DG && ./Run.evb
> cd evb/poh_dbonds_umb_dg_UFF_9DG_pimd_ld_full && ./Run.evb
> cd evb/poh_dbonds_umb_dg_UFF_9DG_pimd_nhc_full && ./Run.evb
> cd evb/poh_dbonds_umb_dg_UFF_9DG_nmpimd_full && ./Run.evb
> cd evb/poh_dbonds_umb_dg_UFF_9DG_nmpimd_full_TST-freqf && ./Run.evb
>
> The first two are segfaults, the last few are MPI_aborts. There are no
> error messages in the output files as far as I can tell. I will see if I get
> these errors when I test with the gnu compilers and gnu compiled MPI.
>
> I am attaching a slightly more detailed version of these results.
>
> -Dan
>
>
> On Sun, Mar 28, 2010 at 10:52 PM, case <case.biomaps.rutgers.edu> wrote:
>
>> Hi everyone:
>>
>> I have placed the latest release candidates here:
>>
>> http://ambermd.org/downloads/AmberTools.28mar10.tar.bz2
>> http://ambermd.org/downloads/Amber11.28mar10.tar.bz2
>>
>> Notes:
>>
>> 1. AmberTools can stand on its own, but Amber11 requires you to first
>> download
>> and untar AmberTools. Note: you don't need to *compile* AmberTools, but
>> you
>> do need to untar and configure it.
>>
>> If you don't want to read the instructions: go to amber11/AmberTools/src
>> and run configure from there. This will create a config.h file that is
>> used
>> by both AmberTools and Amber11.
>>
>> 2. I left out the 2_million_atom and cuda test suites: these take up 200
>> Mbytes, and won't be used by most people. I'm thinking of distributing
>> these in a separate tar file. Many people have to download Amber over
>> pretty
>> slow internet connections.
>>
>> 3. The code in CVS no longer corresponds to the release candidates, but
>> the
>> differences are few. I still encourage people to update the
>> documentation,
>> and commits can still be made in the amber11/doc subdirectory.
>>
>> ...thx...dac
>>
>> _______________________________________________
>> AMBER-Developers mailing list
>> AMBER-Developers.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>
>
>
>
> --
> -------------------------
> Daniel R. Roe
> Postdoctoral Associate
> SAS - Chemistry & Chemical Biology
> 610 Taylor Road
> Piscataway, NJ 08854
>
>
>
--
-------------------------
Daniel R. Roe
Postdoctoral Associate
SAS - Chemistry & Chemical Biology
610 Taylor Road
Piscataway, NJ 08854
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Received on Mon Mar 29 2010 - 12:30:04 PDT
